SCHEMBL6984711

SCHEMBL6984711

CCC(C)(Cc1ccc(O)cc1)NCCN1CCCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
ACHE P22303 1/20 0.37
PER2 O15055 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6976795 0.86 KMT2A (0.47) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6974917 0.82 KMT2A (0.43) RAB9AKMT2ATSHRMEN1ALDH1A1
SCHEMBL19353009 0.79 KMT2A (0.51) RAB9AKMT2ATSHRMEN1ALDH1A1
SCHEMBL6985419 0.78 KMT2A (0.41) RAB9AKMT2ATSHRMEN1L3MBTL1
SCHEMBL6984916 0.78 KMT2A (0.41) RAB9AKMT2ATSHRMEN1L3MBTL1
SCHEMBL6982440 0.76 PDK1 (0.41) RAB9AKMT2ATSHRMEN1L3MBTL1
SCHEMBL6171559 0.74 ALDH1A1 (0.40) RAB9AKMT2ATSHRMEN1L3MBTL1
SCHEMBL23219754 0.71 KMT2A (0.43) RAB9AKMT2ATSHRMEN1ALDH1A1
SCHEMBL7174354 0.70 L3MBTL1 (0.46) RAB9AKMT2AMEN1ACHEL3MBTL1
SCHEMBL10245099 0.69 KMT2A (0.55) RAB9AKMT2ATSHRMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975220-B1 USE OF SULFONYLOXADIAZOLONES AS MICROBICIDES BAYER CROPSCIENCE AG (DE) 2003-04-02 EP disclosed
EP-0004532-A1 1-Aryloxy-3-nitratoalkylamino-2-propanols, process for their preparation and pharmaceutical compositions MERCK PATENT GmbH (DE) 1979-10-17 EP disclosed